8VSD
| avb8/L-TGF-b1/GARP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Jin, M, Cheng, Y, Nishimura, S.L. | Deposit date: | 2024-01-23 | Release date: | 2024-09-11 | Last modified: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Dynamic allostery drives autocrine and paracrine TGF-beta signaling. Cell, 2024
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7QJU
| EED in complex with PRC2 allosteric inhibitor compound 7 | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | Deposit date: | 2021-12-17 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies. J.Med.Chem., 65, 2022
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7QJG
| EED in complex with PRC2 allosteric inhibitor compound 6 | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | Deposit date: | 2021-12-16 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies. J.Med.Chem., 65, 2022
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7QK4
| EED in complex with PRC2 allosteric inhibitor compound 22 (MAK683) | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | Deposit date: | 2021-12-17 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies. J.Med.Chem., 65, 2022
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3B9O
| long-chain alkane monooxygenase (LadA) in complex with coenzyme FMN | Descriptor: | Alkane monooxygenase, FLAVIN MONONUCLEOTIDE | Authors: | Li, L, Yang, W, Xu, F, Bartlam, M, Rao, Z. | Deposit date: | 2007-11-06 | Release date: | 2008-01-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of long-chain alkane monooxygenase (LadA) in complex with coenzyme FMN: unveiling the long-chain alkane hydroxylase J.Mol.Biol., 376, 2008
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3B9N
| Crystal structure of long-chain alkane monooxygenase (LadA) | Descriptor: | Alkane monooxygenase | Authors: | Li, L, Yang, W, Xu, F, Bartlam, M, Rao, Z. | Deposit date: | 2007-11-06 | Release date: | 2008-01-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of long-chain alkane monooxygenase (LadA) in complex with coenzyme FMN: unveiling the long-chain alkane hydroxylase J.Mol.Biol., 376, 2008
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6P3P
| Crystal structure of Mcl-1 in complex with compound 65 | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, methyl N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-D-phenylalaninate | Authors: | Toms, A.V, Follows, B. | Deposit date: | 2019-05-24 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Discovery of novel biaryl sulfonamide based Mcl-1 inhibitors. Bioorg.Med.Chem.Lett., 29, 2019
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6XQR
| OXA-48 bound by Compound 2.2 | Descriptor: | Beta-lactamase, CHLORIDE ION, [1,1'-biphenyl]-4,4'-disulfonic acid | Authors: | Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2020-07-10 | Release date: | 2021-12-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48. Acs Infect Dis., 7, 2021
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4R5Y
| The complex structure of Braf V600E kinase domain with a novel Braf inhibitor | Descriptor: | 5-({(1R,1aS,6bR)-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one, Serine/threonine-protein kinase B-raf | Authors: | Feng, Y, Peng, H, Zhang, Y, Liu, Y, Wei, M. | Deposit date: | 2014-08-22 | Release date: | 2016-02-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | BGB-283, a Novel RAF Kinase and EGFR Inhibitor, Displays Potent Antitumor Activity in BRAF-Mutated Colorectal Cancers. Mol.Cancer Ther., 14, 2015
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5H24
| EED in complex with PRC2 allosteric inhibitor compound 8 | Descriptor: | 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | Deposit date: | 2016-10-14 | Release date: | 2017-01-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy J. Med. Chem., 60, 2017
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7C01
| Molecular basis for a potent human neutralizing antibody targeting SARS-CoV-2 RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CB6 heavy chain, CB6 light chain, ... | Authors: | Shi, R, Qi, J, Wang, Q, Gao, F.G, Yan, J. | Deposit date: | 2020-04-29 | Release date: | 2020-05-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | A human neutralizing antibody targets the receptor-binding site of SARS-CoV-2. Nature, 584, 2020
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4ZSE
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5H25
| EED in complex with PRC2 allosteric inhibitor compound 11 | Descriptor: | 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | Deposit date: | 2016-10-14 | Release date: | 2017-01-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy J. Med. Chem., 60, 2017
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5H19
| EED in complex with PRC2 allosteric inhibitor EED162 | Descriptor: | 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | Deposit date: | 2016-10-08 | Release date: | 2017-01-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED PLoS ONE, 12, 2017
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8Z0L
| Cryo-EM structure of Cas8-HNH system at partial R-loop state | Descriptor: | DNA (32-MER), DNA (5'-D(P*GP*TP*GP*CP*GP*GP*A)-3'), HNH endonuclease, ... | Authors: | Zhang, H, Zhu, H, Li, X, Liu, Y. | Deposit date: | 2024-04-09 | Release date: | 2024-10-02 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (2.57 Å) | Cite: | Structural basis for the type I-F Cas8-HNH system. Embo J., 2024
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8Z0K
| Cryo-EM structure of Cas8-HNH system at full R-loop state | Descriptor: | DNA (37-MER), DNA (5'-D(P*GP*TP*GP*CP*GP*GP*A)-3'), HNH endonuclease, ... | Authors: | Zhang, H, Zhu, H, Li, X, Liu, Y. | Deposit date: | 2024-04-09 | Release date: | 2024-10-02 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (2.51 Å) | Cite: | Structural basis for the type I-F Cas8-HNH system. Embo J., 2024
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8ZDY
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8ZNR
| Cryo-EM structure of Cas8-HNH system at ssDNA-bound state | Descriptor: | DNA (35-MER), RNA (56-MER), protein structure | Authors: | Zhang, H, Zhu, H, Li, X, Liu, Y. | Deposit date: | 2024-05-28 | Release date: | 2024-10-02 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis for the type I-F Cas8-HNH system. Embo J., 2024
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8ZSP
| Cryo-EM structure of the LSD-bound hTAAR1-Gs complex | Descriptor: | (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Jiang, K.X, Zheng, Y, Xu, F. | Deposit date: | 2024-06-05 | Release date: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | The versatile binding landscape of the TAAR1 pocket for LSD and other antipsychotic drug molecules. Cell Rep, 43, 2024
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8ZSS
| Cryo-EM structure of the RO5263397-bound hTAAR1-Gs complex | Descriptor: | (4~{S})-4-(3-fluoranyl-2-methyl-phenyl)-1,3-oxazolidin-2-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Jiang, K.X, Zheng, Y, Xu, F. | Deposit date: | 2024-06-05 | Release date: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.07 Å) | Cite: | The versatile binding landscape of the TAAR1 pocket for LSD and other antipsychotic drug molecules. Cell Rep, 43, 2024
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8YQQ
| Structure of HKU1B RBD with TMPRSS2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, Transmembrane protease serine 2 | Authors: | Gao, X, Cui, S, Ding, W, Zhu, K, Shang, K, Zhu, H. | Deposit date: | 2024-03-19 | Release date: | 2024-08-28 | Method: | ELECTRON MICROSCOPY (3.95 Å) | Cite: | Structural basis for the interaction between human coronavirus HKU1 spike receptor binding domain and its receptor TMPRSS2. Cell Discov, 10, 2024
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8ZSV
| Cryo-EM structure of the RO5263397-bound mTAAR1-Gs complex | Descriptor: | (4~{S})-4-(3-fluoranyl-2-methyl-phenyl)-1,3-oxazolidin-2-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Jiang, K.X, Zheng, Y, Xu, F. | Deposit date: | 2024-06-05 | Release date: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.96 Å) | Cite: | The versatile binding landscape of the TAAR1 pocket for LSD and other antipsychotic drug molecules. Cell Rep, 43, 2024
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8ZSJ
| Cryo-EM structure of the apo hTAAR1-Gs complex | Descriptor: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Jiang, K.X, Zheng, Y, Xu, F. | Deposit date: | 2024-06-05 | Release date: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | The versatile binding landscape of the TAAR1 pocket for LSD and other antipsychotic drug molecules. Cell Rep, 43, 2024
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8WRH
| SARS-CoV-2 XBB.1.5.70 in complex with ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S2' | Authors: | Feng, L.L, Feng, L.L. | Deposit date: | 2023-10-14 | Release date: | 2023-11-29 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding. Plos Pathog., 19, 2023
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8WRL
| XBB.1.5 RBD in complex with ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1 | Authors: | Feng, L.L, Feng, L.L. | Deposit date: | 2023-10-15 | Release date: | 2023-11-29 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding. Plos Pathog., 19, 2023
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